1,1'-Ethane-1,1-diyl 6,6'-diprop-2-en-1-yl dihexanedioate
TL;DR: 1,1'-Ethane-1,1-diyl 6,6'-diprop-2-en-1-yl dihexanedioate (CAS 6947-41-7) is a chemical compound with molecular formula C20H30O8 and molecular weight 398.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-O-[1-(6-oxo-6-prop-2-enoxyhexanoyl)oxyethyl] 1-O-prop-2-enyl hexanedioate
Also Known As: KST-1B7644, 1,1'-ethane-1,1-diyl 6,6'-diprop-2-en-1-yl dihexanedioate, 1,1'-Ethane-1,1-diyl 6,6'-di(prop-2-en-1-yl) dihexanedioate, 6-O-[1-(6-oxo-6-prop-2-enoxyhexanoyl)oxyethyl] 1-O-prop-2-enyl hexanedioate
| Molecular Formula | C20H30O8 |
|---|---|
| Molecular Weight | 398.19 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 20 |
| Exact Mass | 398.19406 |
| Heavy Atoms | 28 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 6947-41-7 |
|---|---|
| SMILES | CC(OC(=O)CCCCC(=O)OCC=C)OC(=O)CCCCC(=O)OCC=C |
| InChIKey | KXWGQGDRVCQEJN-UHFFFAOYSA-N |
Product Overview
1,1'-Ethane-1,1-diyl 6,6'-diprop-2-en-1-yl dihexanedioate (CAS 6947-41-7), with molecular formula C20H30O8 and molecular weight 398.19 g/mol. IUPAC: 6-O-[1-(6-oxo-6-prop-2-enoxyhexanoyl)oxyethyl] 1-O-prop-2-enyl hexanedioate.
Chemical Property Profile of 1,1'-Ethane-1,1-diyl 6,6'-diprop-2-en-1-yl dihexanedioate
Property Insights of 1,1'-Ethane-1,1-diyl 6,6'-diprop-2-en-1-yl dihexanedioate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-Ethane-1,1-diyl 6,6'-diprop-2-en-1-yl dihexanedioate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-Ethane-1,1-diyl 6,6'-diprop-2-en-1-yl dihexanedioate. Following Lipinski's Rule of Five, 1,1'-Ethane-1,1-diyl 6,6'-diprop-2-en-1-yl dihexanedioate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1'-Ethane-1,1-diyl 6,6'-diprop-2-en-1-yl dihexanedioate?
The CAS number of 1,1'-Ethane-1,1-diyl 6,6'-diprop-2-en-1-yl dihexanedioate is 6947-41-7.
What is the molecular formula of 1,1'-Ethane-1,1-diyl 6,6'-diprop-2-en-1-yl dihexanedioate?
The molecular formula of 1,1'-Ethane-1,1-diyl 6,6'-diprop-2-en-1-yl dihexanedioate is C20H30O8.
What is the molecular weight of 1,1'-Ethane-1,1-diyl 6,6'-diprop-2-en-1-yl dihexanedioate?
The molecular weight of 1,1'-Ethane-1,1-diyl 6,6'-diprop-2-en-1-yl dihexanedioate is 398.19 g/mol.
Where can I buy 1,1'-Ethane-1,1-diyl 6,6'-diprop-2-en-1-yl dihexanedioate?
You can request a quote for 1,1'-Ethane-1,1-diyl 6,6'-diprop-2-en-1-yl dihexanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Ethane-1,1-diyl 6,6'-diprop-2-en-1-yl dihexanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Ethane-1,1-diyl 6,6'-diprop-2-en-1-yl dihexanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.